6-Bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one

C₁₀H₁₀BrNOCAS 158326-84-2240.10 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₁₀H₁₀BrNO
Molar mass: 240.10 g/mol
Exact mass: 238.9946 Da
logP: 2.68Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

158326-84-2

SMILES

CC1(C2=C(C=C(C=C2)Br)NC1=O)C

InChIKey

DBAOYNGOQUASPE-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)

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Names and synonyms

1 names

6-Bromo-3,3-dimethylindolin-2-one

Work with 6-Bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-1H-indole-3-ethanol32774-29-1 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-96-9

Elsewhere

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